1I57
CRYSTAL STRUCTURE OF APO HUMAN PTP1B (C215S) MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 87.381, 87.381, 95.942 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.195 * |
| Rwork | 0.195 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pty |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.590 |
| Data scaling software | X-GEN |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.230 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.061 | 0.398 |
| Total number of observations | 259144 * | |
| Number of reflections | 25181 | 4136 * |
| <I/σ(I)> | 11.7 | 1.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.3 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 4 * | PEG 3350, Hepes, Magnesium Chloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 284K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | HEPES | 20 (mM) | |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | EDTA | 1 (mM) | |
| 5 | 1 | drop | DMH | 5 (mM) | |
| 6 | 1 | reservoir | PEG3350 | 13-16 (%) | |
| 7 | 1 | reservoir | HEPES | 100 (mM) | |
| 8 | 1 | reservoir | 200 (mM) |
